3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one

C12H13Cl2NO3 — CID 112736657

IUPAC3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1Cl)N1CC(O)CO1
InChIInChI=1S/C12H13Cl2NO3/c13-9-3-1-8(11(14)5-9)2-4-12(17)15-6-10(16)7-18-15/h1,3,5,10,16H,2,4,6-7H2
InChIKeyPUPIMLJCMZXDDW-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.06
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one

3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one (PubChem CID 112736657) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one
PubChem CID112736657
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1Cl)N1CC(O)CO1
InChIInChI=1S/C12H13Cl2NO3/c13-9-3-1-8(11(14)5-9)2-4-12(17)15-6-10(16)7-18-15/h1,3,5,10,16H,2,4,6-7H2
InChIKeyPUPIMLJCMZXDDW-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2,4-dichlorophenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
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methyl 1-[3-(2,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one (CID 112736657) is 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one is O=C(CCc1ccc(Cl)cc1Cl)N1CC(O)CO1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one?
The InChIKey is PUPIMLJCMZXDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c13-9-3-1-8(11(14)5-9)2-4-12(17)15-6-10(16)7-18-15/h1,3,5,10,16H,2,4,6-7H2.
What are the key properties of 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one?
3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one has a molecular weight of 290.15 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-(4-hydroxy-1,2-oxazolidin-2-yl)propan-1-one is sourced from PubChem (CID 112736657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).